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Assessment of a Parachor Model for the Surface Tension of Binary Mixtures

We compiled an experimental database for the surface tension of binary mixtures containing a wide variety of fluids, from the chemical classes (water, alcohols, amines, ketones, linear and branched alkanes, naphthenes, aromatics, refrigerants, and cryogens). The resulting data set includes 65 pure f...

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Autores principales: Log, Alexandra Metallinou, Diky, Vladimir, Huber, Marcia L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10247860/
https://www.ncbi.nlm.nih.gov/pubmed/37305811
http://dx.doi.org/10.1007/s10765-023-03216-z
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author Log, Alexandra Metallinou
Diky, Vladimir
Huber, Marcia L.
author_facet Log, Alexandra Metallinou
Diky, Vladimir
Huber, Marcia L.
author_sort Log, Alexandra Metallinou
collection PubMed
description We compiled an experimental database for the surface tension of binary mixtures containing a wide variety of fluids, from the chemical classes (water, alcohols, amines, ketones, linear and branched alkanes, naphthenes, aromatics, refrigerants, and cryogens). The resulting data set includes 65 pure fluids and 154 binary pairs with a total of 8205 points. We used this database to test the performance of a parachor model for the surface tension of binary mixtures. The model uses published correlations to determine the parachors of the pure fluids. The model has a single, constant binary interaction parameter for each pair that was found by fitting experimental mixture data. It can be also used in a predictive mode when the interaction parameters are set to zero. We present detailed comparisons on the performance of the model for both cases. In general, the parachor model in a predictive mode without fitted interaction parameters can predict the surface tension of binary mixtures of non-polar mixtures such as linear and branched alkanes, linear and branched alkanes with naphthenes, aromatics with aromatics, aromatics with naphthenes, and mixtures of linear alkanes of similar sizes with an average absolute percentage deviation of about 3 % or less. Polar mixtures of halocarbons with other halocarbons and also polar/nonpolar mixtures of alkanes with halocarbons could be modeled with an average absolute deviation of less than 0.35 mN·m(−1) with the use of a binary interaction parameter. The parachor model even with a fitted binary interaction parameter performs poorly for mixtures of water and organic compounds and is not recommended. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1007/s10765-023-03216-z.
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spelling pubmed-102478602023-06-09 Assessment of a Parachor Model for the Surface Tension of Binary Mixtures Log, Alexandra Metallinou Diky, Vladimir Huber, Marcia L. Int J Thermophys Article We compiled an experimental database for the surface tension of binary mixtures containing a wide variety of fluids, from the chemical classes (water, alcohols, amines, ketones, linear and branched alkanes, naphthenes, aromatics, refrigerants, and cryogens). The resulting data set includes 65 pure fluids and 154 binary pairs with a total of 8205 points. We used this database to test the performance of a parachor model for the surface tension of binary mixtures. The model uses published correlations to determine the parachors of the pure fluids. The model has a single, constant binary interaction parameter for each pair that was found by fitting experimental mixture data. It can be also used in a predictive mode when the interaction parameters are set to zero. We present detailed comparisons on the performance of the model for both cases. In general, the parachor model in a predictive mode without fitted interaction parameters can predict the surface tension of binary mixtures of non-polar mixtures such as linear and branched alkanes, linear and branched alkanes with naphthenes, aromatics with aromatics, aromatics with naphthenes, and mixtures of linear alkanes of similar sizes with an average absolute percentage deviation of about 3 % or less. Polar mixtures of halocarbons with other halocarbons and also polar/nonpolar mixtures of alkanes with halocarbons could be modeled with an average absolute deviation of less than 0.35 mN·m(−1) with the use of a binary interaction parameter. The parachor model even with a fitted binary interaction parameter performs poorly for mixtures of water and organic compounds and is not recommended. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1007/s10765-023-03216-z. Springer US 2023-06-07 2023 /pmc/articles/PMC10247860/ /pubmed/37305811 http://dx.doi.org/10.1007/s10765-023-03216-z Text en © The Author(s) 2023 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Log, Alexandra Metallinou
Diky, Vladimir
Huber, Marcia L.
Assessment of a Parachor Model for the Surface Tension of Binary Mixtures
title Assessment of a Parachor Model for the Surface Tension of Binary Mixtures
title_full Assessment of a Parachor Model for the Surface Tension of Binary Mixtures
title_fullStr Assessment of a Parachor Model for the Surface Tension of Binary Mixtures
title_full_unstemmed Assessment of a Parachor Model for the Surface Tension of Binary Mixtures
title_short Assessment of a Parachor Model for the Surface Tension of Binary Mixtures
title_sort assessment of a parachor model for the surface tension of binary mixtures
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10247860/
https://www.ncbi.nlm.nih.gov/pubmed/37305811
http://dx.doi.org/10.1007/s10765-023-03216-z
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